CID 24751681

950761-81-6

Structural Information

Molecular Formula
C26H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6
InChI
InChI=1S/C26H23BO2/c1-25(2)26(3,4)29-27(28-25)22-15-14-20-18-11-6-9-16-8-5-10-17(23(16)18)19-12-7-13-21(22)24(19)20/h5-15H,1-4H3
InChIKey
RKJWQQVQQVALBZ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-perylen-3-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

378.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18638 191.3
[M+Na]+ 401.16832 203.9
[M-H]- 377.17182 202.6
[M+NH4]+ 396.21292 211.0
[M+K]+ 417.14226 198.9
[M+H-H2O]+ 361.17636 180.4
[M+HCOO]- 423.17730 207.3
[M+CH3COO]- 437.19295 203.2
[M+Na-2H]- 399.15377 198.1
[M]+ 378.17855 198.7
[M]- 378.17965 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe